Geometry & MOs

Info

ID:

340104

PubChem CID:

127262113

Reduced:

SN3O5C23H33 (1)

Stoich.:

AB3C5D23E33 (1)

Weight, g/mol:

808.473478

ΔHf, kcal/mol:

-213.23

Dipole, Da:

5.85

IP(EA), eV:

 -8.94(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[6-[[(2S)-2-[[(2S)-2-(6-formamidohexanoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N)N(C(=O)[C@H](CCSC)NC=O)C1(CC2=CC=CC=C2C1)C(=O)OC

DOS

IR

Vibrations